4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide

C12H13N5O — CID 62841400

IUPAC4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(CNC(=O)c2cc(N)ccn2)cn1
InChIInChI=1S/C12H13N5O/c1-8-5-16-10(6-15-8)7-17-12(18)11-4-9(13)2-3-14-11/h2-6H,7H2,1H3,(H2,13,14)(H,17,18)
InChIKeyBKNWXVZIFCMCEC-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.69
Rot. Bonds3

About 4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide

4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 62841400) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
PubChem CID62841400
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(CNC(=O)c2cc(N)ccn2)cn1
InChIInChI=1S/C12H13N5O/c1-8-5-16-10(6-15-8)7-17-12(18)11-4-9(13)2-3-14-11/h2-6H,7H2,1H3,(H2,13,14)(H,17,18)
InChIKeyBKNWXVZIFCMCEC-UHFFFAOYSA-N
XLogP0.69
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62846960
4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 55121841
4-amino-N-(1,2-oxazol-3-ylmethyl)pyridine-2-carboxamide
CID 81174448
5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 104641171
4-amino-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62153900
5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62954782
N-methyl-4-[(5-methylpyrazin-2-yl)methylamino]pyridine-2-carboxamide
CID 62845761
(5-methylpyrazin-2-yl)methylurea
CID 62845946
4-amino-N-(2-amino-2-oxoethyl)pyridine-2-carboxamide
CID 62156231
6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62841226
4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide
CID 62847324
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-dicarboxamide
CID 59980526

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide (CID 62841400) is 4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide is Cc1cnc(CNC(=O)c2cc(N)ccn2)cn1.
What is the InChIKey of 4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is BKNWXVZIFCMCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-8-5-16-10(6-15-8)7-17-12(18)11-4-9(13)2-3-14-11/h2-6H,7H2,1H3,(H2,13,14)(H,17,18).
What are the key properties of 4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide?
4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62841400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).